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Information card for entry 7224590
Preview
Coordinates | 7224590.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | CuCl 556 |
---|---|
Formula | C58 H48 Cl2 Cu2 N6 O2 P2 S2 |
Calculated formula | C58 H48 Cl2 Cu2 N6 O2 P2 S2 |
SMILES | c1ccc(c[n]1[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Cl][Cu]([n]2cccc(c2)/C=N/NC(=O)c2cccs2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[Cl]1)/C=N/NC(=O)c1cccs1 |
Title of publication | Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study |
Authors of publication | Gholivand, Khodayar; Farshadfer, Kaveh; Roe, S. Mark; Gholami, Akram; Esrafili, Mehdi D. |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 16 |
Pages of publication | 2873 |
a | 8.6008 ± 0.0002 Å |
b | 11.9216 ± 0.0004 Å |
c | 13.5031 ± 0.0004 Å |
α | 98.28 ± 0.003° |
β | 90.093 ± 0.002° |
γ | 94.468 ± 0.002° |
Cell volume | 1365.83 ± 0.07 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.032 |
Residual factor for significantly intense reflections | 0.0279 |
Weighted residual factors for significantly intense reflections | 0.0731 |
Weighted residual factors for all reflections included in the refinement | 0.0758 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7224590.html
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